SCHEMBL3006563

SCHEMBL3006563

CCNS(=O)(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
VCAM1 P19320 1/20 0.47
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEP1B Q16820 1/20 0.45
IDO1 P14902 1/20 0.44
KMT2A Q03164 2/20 0.43
PNMT P11086 4/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3019162 0.87 CA12 (0.53) ALDH1A1CYP2C9CA1CA2CA9
SCHEMBL20155326 0.87 ALDH1A1 (0.59) ALDH1A1VCAM1CYP2C9SMN1; SMN2CA1
SCHEMBL16492321 0.81 ALDH1A1 (0.65) ALDH1A1VCAM1CYP2C9SMN1; SMN2CA1
SCHEMBL3017872 0.81 LMNA (0.49) ALDH1A1VCAM1SMN1; SMN2CA1CA2
SCHEMBL23092777 0.80 CA1 (0.56) ALDH1A1VCAM1CYP2C9SMN1; SMN2CA1
SCHEMBL29715364 0.80 CA1 (0.56) ALDH1A1VCAM1CYP2C9SMN1; SMN2CA1
SCHEMBL30602398 0.79 GAA (0.42) ALDH1A1CYP2C9CA1CA2CA9
SCHEMBL2112292 0.79 GAA (0.42) ALDH1A1CYP2C9CA1CA2CA9
SCHEMBL3025163 0.78 CNR2 (0.57) ALDH1A1CYP2C9SMN1; SMN2CA1CA2
SCHEMBL120400 0.78 PKM (0.61) ALDH1A1VCAM1SMN1; SMN2CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-08-12 US disclosed
US-7723332-B2 Aryl sulfonamides useful for modulation of the progesterone receptor WYETH LLC (US) 2010-05-25 US disclosed
EP-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 EP disclosed
WO-2008109055-A2 CYANOPYRROLE SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake WYETH (US) 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 ALDH1A1 946/4885VCAM1 3276/4885CYP2C9 1287/4885
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake PKD1, PKD2, SHBG ALDH1A1 1586/4885VCAM1 2503/4885CYP2C9 3301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.